Analyte Name

2-(4-(Heptylsulfonyl)piperazin-1-yl-2,2,3,3,5,5,6,6-d8)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one

Molecular Formula

C20 D8 H17 F3 N4 O5 S2

Molecular Weight

530.611

Accurate Mass

530.172

SMILES

[2H]C1([2H])N(C2=NC(=O)c3cc(cc(c3S2)[N+](=O)[O-])C(F)(F)F)C([2H])([2H])C([2H])([2H])N(C1([2H])[2H])S(=O)(=O)CCCCCCC

InChI

InChI=1S/C20H25F3N4O5S2/c1-2-3-4-5-6-11-34(31,32)26-9-7-25(8-10-26)19-24-18(28)15-12-14(20(21,22)23)13-16(27(29)30)17(15)33-19/h12-13H,2-11H2,1H3/i7D2,8D2,9D2,10D2

IUPAC

8-nitro-2-(2,2,3,3,5,5,6,6-octadeuterio-4-heptylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1,3-benzothiazin-4-one

Unlabelled CAS Number

2757779-12-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat